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Compound 29
  CheckMol                        TMF02:r0:m0
MF=C9H7Cl2N5 MW=256.09
 16 17  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3104    0.7673   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6207    0.0354   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3222    2.2784   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6325   -1.4520   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9311    0.8027   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0354    3.0339   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6325    3.0457   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9429    2.3138   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0472    4.5449   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2513    2.3020   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2395    5.3005   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5381    3.0575   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2395    0.8145   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5263    4.5567   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8130    5.3123   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5  1  0  0  0  0
  3  6 01  0  1  0  0
  4  7  1  0  0  0  0
  4  8 02  0  1  0  0
  6  9 02  0  1  0  0
  7 10 02  0  1  0  0
  7 11 01  0  1  0  0
 10 12 01  0  1  0  0
 11 13 02  0  1  0  0
 11 14  1  0  0  0  0
 12 15 02  0  1  0  0
 15 16  1  0  0  0  0
  8  9 01  0  1  0  0
 13 15 01  0  1  0  0
M  END

Lamotrigine

₹ 0.00 0.00

Chemical Name - Lamotrigine
Mol Weight - 256.096
Smiles - Nc1nc(N)nnc1-c1cccc(Cl)c1Cl

Property Name	Property Value
Mol Name	Lamotrigine
Molweight	256.096
Monoisotopic Mass	255.007849
Clogp	1.596
Clogs	-4.359
H Acceptors	5
H Donors	2
Total Surface Area	177.18
Relative Psa	0.35811
Polar Surface Area	90.71
Druglikeness	-1.6419
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5625
Molecular Flexibility	0.36209
Molecular Complexity	0.77933
Fragments	1
Non H Atoms	16
Non Ch Atoms	7
Electronegative Atoms	7
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Aromatic Nitrogens	3
Smiles	Nc1nc(N)nnc1-c1cccc(Cl)c1Cl
InChIKey	InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
InChI	PYZRQGJRPPTADH-UHFFFAOYSA-N

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Lamotrigine